(2S,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]-3,5-dihydroxy-4-methoxyoxane-2-carboxylic acid

C30H50O26 — CID 122222999

About (2S,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]-3,5-dihydroxy-4-methoxyoxane-2-carboxylic acid

(2S,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]-3,5-dihydroxy-4-methoxyoxane-2-carboxylic acid (PubChem CID 122222999) has the molecular formula C30H50O26 and a molecular weight of 826.70 g/mol. Its IUPAC name is (2S,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]-3,5-dihydroxy-4-methoxyoxane-2-carboxylic acid.

Molecular Properties

• Compound Name: (2S,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]-3,5-dihydroxy-4-methoxyoxane-2-carboxylic acid
• PubChem CID: 122222999
• Molecular Formula: C30H50O26
• Molecular Weight: 826.70 g/mol
• Exact Mass: 826.26
• IUPAC Name: (2S,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]-3,5-dihydroxy-4-methoxyoxane-2-carboxylic acid
• SMILES: CO[C@@H]1[C@@H](O)[C@H](OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](OC[C@H]4OC(O)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H](O[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)[C@H]2O)O[C@H](C(=O)O)[C@H]1O
• InChI: InChI=1S/C30H50O26/c1-47-22-19(41)24(25(44)45)56-29(20(22)42)50-5-9-13(35)23(55-30-17(39)10(32)6(2-31)52-30)21(43)28(54-9)49-4-8-12(34)15(37)18(40)27(53-8)48-3-7-11(33)14(36)16(38)26(46)51-7/h6-24,26-43,46H,2-5H2,1H3,(H,44,45)/t6-,7+,8+,9+,10-,11-,12-,13-,14-,15-,16+,17+,18+,19-,20+,21+,22-,23-,24-,26?,27+,28+,29+,30-/m0/s1
• InChIKey: BCMMRCVTKSDVBZ-ACIFNFAHSA-N
• XLogP: -10.54
• TPSA: 412.82 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	826.70
LogP ≤ 5	-10.54
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]-3,5-dihydroxy-4-methoxyoxane-2-carboxylic acid?

The IUPAC name of (2S,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]-3,5-dihydroxy-4-methoxyoxane-2-carboxylic acid (CID 122222999) is (2S,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]-3,5-dihydroxy-4-methoxyoxane-2-carboxylic acid.

What is the SMILES notation for (2S,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]-3,5-dihydroxy-4-methoxyoxane-2-carboxylic acid?

The canonical SMILES for (2S,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]-3,5-dihydroxy-4-methoxyoxane-2-carboxylic acid is CO[C@@H]1[C@@H](O)[C@H](OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](OC[C@H]4OC(O)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H](O[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)[C@H]2O)O[C@H](C(=O)O)[C@H]1O.

What is the InChIKey of (2S,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]-3,5-dihydroxy-4-methoxyoxane-2-carboxylic acid?

The InChIKey is BCMMRCVTKSDVBZ-ACIFNFAHSA-N. The full InChI is InChI=1S/C30H50O26/c1-47-22-19(41)24(25(44)45)56-29(20(22)42)50-5-9-13(35)23(55-30-17(39)10(32)6(2-31)52-30)21(43)28(54-9)49-4-8-12(34)15(37)18(40)27(53-8)48-3-7-11(33)14(36)16(38)26(46)51-7/h6-24,26-43,46H,2-5H2,1H3,(H,44,45)/t6-,7+,8+,9+,10-,11-,12-,13-,14-,15-,16+,17+,18+,19-,20+,21+,22-,23-,24-,26?,27+,28+,29+,30-/m0/s1.

What are the key properties of (2S,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]-3,5-dihydroxy-4-methoxyoxane-2-carboxylic acid?

(2S,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]-3,5-dihydroxy-4-methoxyoxane-2-carboxylic acid has a molecular weight of 826.70 g/mol, XLogP of -10.54, 14 rotatable bonds, 15 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]-3,5-dihydroxy-4-methoxyoxane-2-carboxylic acid is sourced from PubChem (CID 122222999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).